Compound Detail
CHEMBL217455
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Basic Information
| ChEMBL ID | CHEMBL217455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOAAMFBNDAGZGU-HNNXBMFYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
1.24
ALogP
6
HBA
2
HBD
109.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | Ki | 5.75 | 5.75 | 1760.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | Ki | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 1.0 | nM | 9.0 | Inhibition of human DPP4 expressed in Caco-2 cells | 17034148 |
| Dipeptidyl peptidase 9 | Ki | = | 1760.0 | nM | 5.75 | Inhibition of DPP9 | 17034148 |
| Dipeptidyl peptidase 8 | Ki | = | 5200.0 | nM | 5.28 | Inhibition of DPP8 | 17034148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034148 | 10.1021/jm060777o | Dipeptidyl peptidase 4 | 1 |
| 17034148 | 10.1021/jm060777o | Dipeptidyl peptidase 8 | 1 |
| 17034148 | 10.1021/jm060777o | Dipeptidyl peptidase 9 | 1 |
Data from ChEMBL 36 via Core Engine